J. Pacansky, M. Dupuis
The Journal of Chemical Physics
The barriers for internal rotation about the alpha CC bonds in the neopentyl and isobutyl radicals are computed using ab initio SCF calculations. The results indicate that although very small barriers are found for both radicals, the pyramidal distortion of the radical center dramatically changes with rotation about the alpha CC bonds. © 1982 American Institute of Physics.
J. Pacansky, M. Dupuis
The Journal of Chemical Physics
H. Honjou, M. Yoshimine, et al.
Journal of Physical Chemistry
J. Pacansky, R.J. Waltman
Journal of Physical Chemistry
J. Pacansky, M. Maier
Journal of Molecular Structure